基于数据挖掘及网络药理学探讨中医药抗呼吸道合胞病毒的用药规律及作用机制

doi:10.3976/j.issn.1002-4026.2023.03.001

Abstract

Abstract:

The study aims to analyze the anti-respiratory syncytial virus (RSV) dosing pattern of traditional Chinese medicine (TCM) using data mining and network pharmacology, and to explore the possible mechanisms of core TCM. The CNKI database was searched to retrieve TCM prescriptions for treating RSV studies. SPSS Statistics 26.0 was used to classify and explore the qualified TCMs on their frequency, nature, taste, four qi and five flavors and their efficacy. Systematic cluster analysis was performed on the TCMs with a frequency greater than five. The compounds and targets were screened using the traditional Chinese medicine systematic pharmacology analysis platform. The above targets were then matched with the RSV disease targets obtained from GeneCards/OMIM database to obtain the key targets of high frequency anti-RSV TCM. Protein-protein interaction network analysis of the key targets was performed using the STRING platform, DAVID database, and the Kyoto encyclopedia of genes and genomes enrichment analysis. Finally, the Chinese herbal medicine-active ingredient-key target-pathway network was constructed using Cytoscape 3.7.1 software and topology analysis was performed. Ninety-one TCM compound prescriptions were identified which involves 121 TCMs that met the criteria. Among them, heat-clearing drugs, phlegm-relieving, cough-suppressing, and asthma-suppressing drugs were mostly found, with the majority attributed to the lung and liver meridians, mainly cold, warm, flat, bitter, pungent, and sweet. Ephedrae Herba, Scutellariae Radix, licorice, and Amygdalus Communis Vas had the highest cumulative frequency and were clustered into one category. A total of 126 active ingredients of Ephedra Herba, Scutellariae Radix, Glycyrrhizae Radix Et Rhizoma, and Armeniacae Semen Amarum were obtained. A total of 110 anti-RSV key targets were obtained, the core targets include GSR, TP53, SOD1, etc., cancer pathway, fluid shear and atherosclerosis pathway, AGE-RAGE signaling pathway, blood lipids and atherosclerotic lipids, etc.

Key words: traditional Chinese medicine compounding, respiratory syncytial virus, dosing pattern, mechanism of action, data mining, network pharmacology

CLC Number:

R285

SUN Tiefeng, DONG Limin, JIAO Ziqi, WANG Ping. Exploration of the dosing pattern and anti-respiratory syncytial virus mechanism of traditional Chinese medicine based on data mining and network pharmacology[J].Shandong Science, 2023, 36(3): 1-9.

Figures/Tables 7

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References 28

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中药	频次	频率	中药	频次	频率	中药	频次	频率
麻黄	19	15.7%	金银花	10	8.3%	连翘	6	5.0%
黄芩	18	14.9%	桑白皮	9	7.4%	陈皮	5	4.1%
甘草	17	14.1%	板蓝根	7	5.8%	地龙	5	4.1%
苦杏仁	17	14.1%	半夏	7	5.8%	僵蚕	5	4.1%
石膏	11	9.1%	葶苈子	7	5.8%	紫苏子	5	4.1%

编号	化学成分	中文名称	OB/%	DL	度值	来源
MOL000098	quercetin	槲皮素	46.43	0.28	106	麻黄
MOL000422	kaempferol	山柰酚	41.88	0.24	68	麻黄
MOL000358	beta-sitosterol	β-谷甾醇	36.91	0.75	58	黄芩
MOL000173	wogonin	汉黄芩素	30.68	0.23	33	黄芩
MOL000228	(2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one	山姜素	55.23	0.20	29	黄芩
MOL000552	5,2'-Dihydroxy-6,7,8-trimethoxyflavone	韧黄芩素I	31.71	0.35	24	黄芩
MOL004328	naringenin	柚皮素	59.29	0.21	15	甘草
MOL002823	herbacetin	草质素苷	36.07	0.27	14	麻黄

靶点	英文名	中文名	度值
GSR	glutathione reductase	谷胱甘肽还原酶	62
TP53	cellular tumor antigen p53	肿瘤蛋白P53	60
SOD1	gene expression of catalase	过氧化氢酶	57
EGFR	epidermal growth factor receptor	表皮生长因子受体	55
CYP3A4	cytochrome P450 3A4	细胞色素P450 3A4	53
GSTP1	glutathione S-transferase P1	谷胱甘肽S-转移酶P1	52
TNF	tumor necrosis factor	肿瘤坏死因子	51
IL-1β	interleukin-1 beta	白细胞介素-1β	50
GSK3B	glycogen synthase kinase-3 beta	糖原合酶激酶-3β	50
PTGS2	prostaglandin-endoperoxide synthase 2	前列腺素-内过氧化物合酶2	48

Exploration of the dosing pattern and anti-respiratory syncytial virus mechanism of traditional Chinese medicine based on data mining and network pharmacology

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